Brand  (β version)

PDB ID: 6E9A

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Ligands
Code Name Style Show Link
CL Chloride ion PoSSuM
FMT Formic acid PoSSuM
J0S (3as,5r,6ar)-2-oxohexahydro-2h-cyclopenta[D][1,3]oxazol-5-yl [(2s,3r)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate PoSSuM
NA Sodium ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6E9A   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : HIV-1 WILD TYPE PROTEASE WITH GRL-034-17A, (3aS, 5R, 6aR)-2-OXOHEXAHYD CYCLOPENTA[D]-5-OXAZOLYL URETHANE WITH A BICYCLIC OXAZOLIDINONE SCAFF AS THE P2 LIGAND
Release Data : 2018-11-07
Compound :
mol_id molecule chains
1 Protease A,B
mutation: Q7K, L33I, L63I, C67A, C95A
Source :
mol_id organism_scientific expression_system
1 Human immunodeficiency virus 1  (taxid:11676) Escherichia coli BL21(DE3)  (taxid:469008)
gene: pol
Authors : Wang, Y.-F., Agniswamy, J., Weber, I.T.
Keywords : ANTIVIRAL, HIV-1 PROTEASE INHIBITOR OF GRL-034-17A, P2 LIGAND, MULTIDRUG-RESISTANT, OXAZOLIDINONE, VIRAL PROTEIN, HYDROLASE-HYDROLASE INHIBITOR COMPLEX, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.22 Å )
Citation :

Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies.

Ghosh, A.K.,Williams, J.N.,Ho, R.Y.  et al.
(2018)  J. Med. Chem.  61 : 9722 - 9737

PubMed: 30354121
DOI: 10.1021/acs.jmedchem.8b01227

Reaction

Chain : A, B
UniProt : Q5RZ08 (Q5RZ08_9HIV1)
Reaction : -